Asset Details
Do you wish to reserve the book?
Tomographic reconstruction of oxygen orbitals in lithium-rich battery materials
Hey, we have placed the reservation for you!
By the way, why not check out events that you can attend while you pick your title.
Oops! Something went wrong.
Looks like we were not able to place the reservation. Kindly try again later.
Are you sure you want to remove the book from the shelf?
Tomographic reconstruction of oxygen orbitals in lithium-rich battery materials
Do you wish to request the book?
Tomographic reconstruction of oxygen orbitals in lithium-rich battery materials
Please be aware that the book you have requested cannot be checked out. If you would like to checkout this book, you can reserve another copy
We have requested the book for you!
Your request is successful and it will be processed during the Library working hours. Please check the status of your request in My Requests.
Oops! Something went wrong.
Looks like we were not able to place your request. Kindly try again later.
Journal Article
Tomographic reconstruction of oxygen orbitals in lithium-rich battery materials
2021
Overview
The electrification of heavy-duty transport and aviation will require new strategies to increase the energy density of electrode materials
1
,
2
. The use of anionic redox represents one possible approach to meeting this ambitious target. However, questions remain regarding the validity of the O
2−
/O
−
oxygen redox paradigm, and alternative explanations for the origin of the anionic capacity have been proposed
3
, because the electronic orbitals associated with redox reactions cannot be measured by standard experiments. Here, using high-energy X-ray Compton measurements together with first-principles modelling, we show how the electronic orbital that lies at the heart of the reversible and stable anionic redox activity can be imaged and visualized, and its character and symmetry determined. We find that differential changes in the Compton profile with lithium-ion concentration are sensitive to the phase of the electronic wave function, and carry signatures of electrostatic and covalent bonding effects
4
. Our study not only provides a picture of the workings of a lithium-rich battery at the atomic scale, but also suggests pathways to improving existing battery materials and designing new ones.
High-energy X-ray Compton measurements and first-principles modelling reveal how the electronic orbital responsible for the reversible anionic redox activity can be imaged and visualized, and its character and symmetry determined.
